Menu

N-[(Z)-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]methylideneamino]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide

Formula:C28H23N6OClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:low N-[(Z)-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]methylideneamino]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide is not a drug-like molecule.
MolNameN-[(Z)-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]methylideneamino]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide
MolecularFormulaC28H23N6OClS2
SmilesO=C(CSc1ncnc2c1c(CCCC1)c1s2)N/N=C\c(c(-c(cc1)ccc1Cl)c1)nn1-c1ccccc1
InChIInChI=1S/C28H23ClN6OS2/c29-19-12-10-18(11-13-19)22-15-35(20-6-2-1-3-7-20)34-23(22)14-32-33-25(36)16-37-27-26-21-8-4-5-9-24(21)38-28(26)31-17-30-27/h1-3,6-7,10-15,17H,4-5,8-9,16H2,(H,33,36)
InChIKQEJPMSYOVQCZRT-UHFFFAOYSA-N
TotalMolweight559.117
Molweight559.117
MonoisotopicMass558.106326
CLogP5.711
CLogS-8.771
H Acceptors7
H Donors1
TotalSurfaceArea410.74
Relative PSA0.27667
PolarSurfaceArea138.6
Druglikeness1.8251
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.5
Fragments1
Non HAtoms38
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond7
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms26
Sp3Atoms6
Symmetricatoms4
Aromatic Nitrogens4
StereoCon

Request More Details | N-[(Z)-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]methylideneamino]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments